(phenylmethyl) 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid benzyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-18-12-14-20(15-13-18)23-25-26-24(27(23)21-10-6-3-7-11-21)30-17-22(28)29-16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3